(2S)-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxy-butanediamide

Systemtic Name: (2S)-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxy-butanediamide Openeye Name: (2S)-N'-benzyloxy-N-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]-2-isobutyl-butanediamide CAS Name: (2S)-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxybutanediamide IUPAC Name: (2S)-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxybutanediamide Traditional Name: (2S)-N'-benzoxy-N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(methylamino)ethyl]-2-isobutyl-succinamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NOCC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC

Isomeric SMILES

CC(C)C[C@@H](CC(=O)NOCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC

InChI

InChI=1S/C27H34N4O4/c1-18(2)13-20(15-25(32)31-35-17-19-9-5-4-6-10-19)26(33)30-24(27(34)28-3)14-21-16-29-23-12-8-7-11-22(21)23/h4-12,16,18,20,24,29H,13-15,17H2,1-3H3,(H,28,34)(H,30,33)(H,31,32)/t20-,24-/m0/s1